SCHEMBL8739816

SCHEMBL8739816

C=CC(=C)Nc1nc2ccc(-c3cn[nH]c3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.53
ITK Q08881 6/20 0.53
USP30 Q70CQ3 5/20 0.51
OTUD7B Q6GQQ9 1/20 0.51
ROCK2 O75116 2/20 0.48
PCSK9 Q8NBP7 1/20 0.48
MAP4K1 Q92918 1/20 0.45
PIK3CG P48736 2/20 0.44
ABL1 P00519 1/20 0.44
PIK3CA P42336 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23221371 0.80 PCSK9 (0.55) LCKITKUSP30OTUD7BROCK2
SCHEMBL13457496 0.78 SMN1; SMN2 (0.62) LCKITKUSP30OTUD7BROCK2
SCHEMBL13457222 0.77 LCK (0.62) LCKITKUSP30MAP4K1ABL1
SCHEMBL6068368 0.77 ABL1 (0.71) LCKITKROCK2PIK3CGABL1
SCHEMBL20055849 0.74 USP30 (0.44) LCKITKUSP30OTUD7BROCK2
SCHEMBL13457481 0.73 ROCK2 (0.64) LCKITKUSP30OTUD7BROCK2
SCHEMBL13457179 0.73 SCD (0.72) LCKITKROCK2
SCHEMBL19302828 0.72 ROCK2 (0.56) LCKITKROCK2PCSK9
SCHEMBL19031537 0.72 ALKBH5 (0.62) PIK3CGPIK3CA
SCHEMBL13457003 0.71 LCK (0.53) LCKITKUSP30OTUD7BROCK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068546-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed